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4OVP
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BU of 4ovp by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SULFITOBACTER sp. NAS-14.1, TARGET EFI-510292, WITH BOUND ALPHA-D-MANURONATE
Descriptor: C4-dicarboxylate transport system substrate-binding protein, alpha-D-mannopyranuronic acid
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-12-11
Release date:2014-01-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4OBG
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BU of 4obg by Molmil
Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease (D30N/N88D) in Complex with the p1-p6 substrate.
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, HIV-1 Protease, ...
Authors:Kolli, M.
Deposit date:2014-01-07
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
4OBH
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BU of 4obh by Molmil
Crystal Structure of Inactive HIV-1 Protease in Complex with the p1-p6 substrate variant (L449F)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
Authors:Kolli, M.
Deposit date:2014-01-07
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
4OBD
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BU of 4obd by Molmil
Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease (D30N/N88D) in Complex with the p1-p6 substrate variant (L449F/S451N)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, HIV-1 Protease, ...
Authors:Kolli, M.
Deposit date:2014-01-07
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
4OBK
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BU of 4obk by Molmil
Crystal structure of inactive HIV-1 protease in complex with the P1-P6 substrate variant (L449F/S451N)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
Authors:Kolli, M.
Deposit date:2014-01-07
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
3LFF
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BU of 3lff by Molmil
Human p38 MAP Kinase in Complex with RL166
Descriptor: (4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
Deposit date:2010-01-16
Release date:2011-04-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
5NZZ
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BU of 5nzz by Molmil
Crystal structure of phosphorylated p38aMAPK in complex with TAB1
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase 14, NICKEL (II) ION, ...
Authors:Nichols, C.E, De Nicola, G.F.
Deposit date:2017-05-15
Release date:2018-05-30
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The TAB1-p38 alpha complex aggravates myocardial injury and can be targeted by small molecules.
JCI Insight, 3, 2018
4O97
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BU of 4o97 by Molmil
Crystal structure of matriptase in complex with inhibitor
Descriptor: N-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein
Authors:Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S.
Deposit date:2014-01-02
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy.
Bioorg.Med.Chem., 22, 2014
3LRI
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BU of 3lri by Molmil
Solution structure and backbone dynamics of long-[Arg(3)]insulin-like growth factor-I
Descriptor: PROTEIN (INSULIN-LIKE GROWTH FACTOR I)
Authors:Laajoki, L.G, Francis, G.L, Wallace, J.C, Carver, J.A, Keniry, M.A.
Deposit date:1999-04-13
Release date:2000-05-23
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure and backbone dynamics of long-[Arg(3)]insulin-like growth factor-I
J.Biol.Chem., 275, 2000
4O9V
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BU of 4o9v by Molmil
Crystal structure of matriptase in complex with inhibitor
Descriptor: N-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein
Authors:Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S.
Deposit date:2014-01-03
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy.
Bioorg.Med.Chem., 22, 2014
6B82
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BU of 6b82 by Molmil
Zebra Fish CYP-450 17A1 Mutant Abiraterone Complex
Descriptor: ACETATE ION, Abiraterone, CHLORIDE ION, ...
Authors:Pallan, P.S, Egli, M.
Deposit date:2017-10-05
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Inherent steroid 17 alpha ,20-lyase activity in defunct cytochrome P450 17A enzymes.
J. Biol. Chem., 293, 2018
4P1B
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BU of 4p1b by Molmil
CRYSTAL STRUCTURE OF THE TOLUENE 4-MONOOXYGENASE HYDROXYLASE-FERREDOXIN C7S E16C C84A C85A VARIANT ELECTRON-TRANSFER COMPLEX
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
Authors:Acheson, J.F, Fox, B.G.
Deposit date:2014-02-25
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for biomolecular recognition in overlapping binding sites in a diiron enzyme system.
Nat Commun, 5, 2014
4P3C
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BU of 4p3c by Molmil
MT1-MMP:Fab complex (Form I)
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Rozenberg, H, Udi, Y, Sagi, I.
Deposit date:2014-03-06
Release date:2014-12-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.943 Å)
Cite:Inhibition mechanism of membrane metalloprotease by an exosite-swiveling conformational antibody.
Structure, 23, 2015
3JAT
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BU of 3jat by Molmil
Cryo-EM structure of GMPCPP-microtubule (14 protofilaments) decorated with kinesin
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Zhang, R, Nogales, E.
Deposit date:2015-06-20
Release date:2015-08-12
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mechanistic Origin of Microtubule Dynamic Instability and Its Modulation by EB Proteins.
Cell(Cambridge,Mass.), 162, 2015
4P3D
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BU of 4p3d by Molmil
MT1-MMP:Fab complex (Form II)
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Rozenberg, H, Udi, Y, Sagi, I.
Deposit date:2014-03-07
Release date:2014-12-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Inhibition mechanism of membrane metalloprotease by an exosite-swiveling conformational antibody.
Structure, 23, 2015
4PAR
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BU of 4par by Molmil
The 5-Hydroxymethylcytosine-Specific Restriction Enzyme AbaSI in a Complex with Product-like DNA
Descriptor: 1,2-ETHANEDIOL, DNA 14-MER, DNA 18-MER, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2014-04-09
Release date:2014-06-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure of 5-hydroxymethylcytosine-specific restriction enzyme, AbaSI, in complex with DNA.
Nucleic Acids Res., 42, 2014
4PMW
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BU of 4pmw by Molmil
Structure of mouse Dis3L2 in complex with oligoU RNA substrate
Descriptor: DIS3-like exonuclease 2, MAGNESIUM ION, U-U-U-U-U-U-U-U-U-U-U-U-U-U
Authors:Faehnle, C.R, Walleshauser, J, Joshua-Tor, L.
Deposit date:2014-05-22
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Mechanism of Dis3l2 substrate recognition in the Lin28-let-7 pathway.
Nature, 514, 2014
3JAS
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BU of 3jas by Molmil
Cryo-EM structure of dynamic GDP-microtubule (14 protofilaments) decorated with kinesin
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhang, R, Nogales, E.
Deposit date:2015-06-19
Release date:2015-08-12
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mechanistic Origin of Microtubule Dynamic Instability and Its Modulation by EB Proteins.
Cell(Cambridge,Mass.), 162, 2015
4NCT
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BU of 4nct by Molmil
Human DYRK1A in complex with PKC412
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PKC412
Authors:Alexeeva, M.O, Rothweiler, U.
Deposit date:2013-10-25
Release date:2015-04-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:The structure of a dual-specificity tyrosine phosphorylation-regulated kinase 1A-PKC412 complex reveals disulfide-bridge formation with the anomalous catalytic loop HRD(HCD) cysteine.
Acta Crystallogr.,Sect.D, 71, 2015
3MA2
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BU of 3ma2 by Molmil
Complex membrane type-1 matrix metalloproteinase (MT1-MMP) with tissue inhibitor of metalloproteinase-1 (TIMP-1)
Descriptor: CALCIUM ION, Matrix metalloproteinase-14, Metalloproteinase inhibitor 1, ...
Authors:Grossman, M, Tworowski, D, Dym, O, Lee, M.-H, Levy, Y, Sagi, I.
Deposit date:2010-03-23
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Intrinsic Protein Flexibility of Endogenous Protease Inhibitor TIMP-1 Controls Its Binding Interface and Affects Its Function.
Biochemistry, 49, 2010
4N1K
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BU of 4n1k by Molmil
Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions
Descriptor: NACHT, LRR and PYD domains-containing protein 14
Authors:Eibl, C, Hessenberger, M, Wenger, J, Brandstetter, H.
Deposit date:2013-10-04
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions.
Acta Crystallogr.,Sect.D, 70, 2014
6BEC
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BU of 6bec by Molmil
Crystal structure of VACV D13 in complex with Rifabutin
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, RIFABUTIN, ...
Authors:Garriga, D, Accurso, C, Coulibaly, F.
Deposit date:2017-10-25
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4OUA
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BU of 4oua by Molmil
Coexistent single-crystal structure of latent and active mushroom tyrosinase (abPPO4) mediated by a hexatungstotellurate(VI)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-tungstotellurate(VI), COPPER (I) ION, ...
Authors:St.Mauracher, G, Molitor, C, Al-Oweini, R, Kortz, U, Rompel, A.
Deposit date:2014-02-15
Release date:2014-06-25
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.763 Å)
Cite:Latent and active abPPO4 mushroom tyrosinase cocrystallized with hexatungstotellurate(VI) in a single crystal.
Acta Crystallogr.,Sect.D, 70, 2014
4OBJ
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BU of 4obj by Molmil
Crystal Structure of Inactive HIV-1 Protease in Complex with the p1-p6 substrate variant (S451N)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
Authors:Kolli, M.
Deposit date:2014-01-07
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
4PUU
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BU of 4puu by Molmil
Human Aldose Reductase complexed with a ligand with an IDD structure (2-(2-carbamoyl-5-fluoro-phenoxy)acetic acid) at 1.14 A
Descriptor: (2-carbamoyl-5-fluorophenoxy)acetic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-03-14
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Human Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation
To be Published

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